4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide

C12H26N4O — CID 114086500

IUPAC4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCN(C)CC1C
InChIInChI=1S/C12H26N4O/c1-10-9-15(3)5-4-6-16(10)11(8-13)7-12(17)14-2/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyRVFJPEGSEUUQGH-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.52
Rot. Bonds4

About 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide

4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide (PubChem CID 114086500) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide
PubChem CID114086500
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCN(C)CC1C
InChIInChI=1S/C12H26N4O/c1-10-9-15(3)5-4-6-16(10)11(8-13)7-12(17)14-2/h10-11H,4-9,13H2,1-3H3,(H,14,17)
InChIKeyRVFJPEGSEUUQGH-UHFFFAOYSA-N
XLogP-0.52
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-methylbutanamide
CID 66428846
4-amino-3-(2-methylpyrrolidin-1-yl)butanamide
CID 66428386
4-amino-3-(2-methylpiperidin-1-yl)butanamide
CID 66426676
4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide
CID 66427985
2-(2,4-dimethyl-1,4-diazepan-1-yl)-N-propan-2-ylpentan-1-amine
CID 114087746
4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
CID 66428208
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
4-amino-3-(2-methylazepan-1-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 66430485
4-amino-3-(2-methylpyrrolidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 66430499
4-amino-3-(2,5-dimethylmorpholin-4-yl)-N-propan-2-ylbutanamide
CID 66429956
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide?
The IUPAC name of 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide (CID 114086500) is 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide is CNC(=O)CC(CN)N1CCCN(C)CC1C.
What is the InChIKey of 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide?
The InChIKey is RVFJPEGSEUUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10-9-15(3)5-4-6-16(10)11(8-13)7-12(17)14-2/h10-11H,4-9,13H2,1-3H3,(H,14,17).
What are the key properties of 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide?
4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide has a molecular weight of 242.37 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,4-dimethyl-1,4-diazepan-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114086500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).